G307-0535 Screening compound: 2-{4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-imidazol-1-yl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

G307-0535 Screening compound: 2-{4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-imidazol-1-yl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
G307-0535 Screening compound: 2-{4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-imidazol-1-yl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G307-0535
2-{4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-imidazol-1-yl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G307-0535

Molecular Formula

C22H28F3N5O3S (C22 H28 F3 N5 O3 S)

Compound Name

2-{4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-imidazol-1-yl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

IUPAC name

2-{4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-imidazol-1-yl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

SMILES

CC(CC1)CCN1S(c1cn(CC(N(CC2)CCN2c2cc(C(F)(F)F)ccc2)=O)cn1)(=O)=O

InChI

InChI=1S/C22H28F3N5O3S/c1-17-5-7-30(8-6-17)34(32,33)20-14-27(16-26-20)15-21(31)29-11-9-28(10-12-29)19-4-2-3-18(13-19)22(23,24)25/h2-4,13-14,16-17H,5-12,15H2,1H3

InChI Key

WADQXFSVGXCENH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14996554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.628

Distribution Coefficient, logD

2.628

Water Solubility, LogSw

-2.92

Polar Surface Area

63.440

Acid Dissociation Constant (pKa)

19.51

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

G307-0535 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with G307-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G307-0535?
Check Price and Availability of G307-0535, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G307-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G307-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G307-0535
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G307-0535 available by request